6-(phenylsulfonylamino)-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline-4-carboxylic acid

Systemtic Name: 6-(phenylsulfonylamino)-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline-4-carboxylic acid Openeye Name: 6-(benzenesulfonamido)-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline-4-carboxylic acid CAS Name: 6-(benzenesulfonamido)-2-[4-(2-pyrimidinyl)-1-piperazinyl]-4-quinolinecarboxylic acid IUPAC Name: 6-(benzenesulfonamido)-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline-4-carboxylic acid Traditional Name: 6-(benzenesulfonamido)-2-[4-(2-pyrimidyl)piperazino]cinchoninic acid Formula: C24H22N6O4S MolecularWeight: 490.53428

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(C=C(C=C3)NS(=O)(=O)C4=CC=CC=C4)C(=C2)C(=O)O)C5=NC=CC=N5

Isomeric SMILES

C1CN(CCN1C2=NC3=C(C=C(C=C3)NS(=O)(=O)C4=CC=CC=C4)C(=C2)C(=O)O)C5=NC=CC=N5

InChI

InChI=1S/C24H22N6O4S/c31-23(32)20-16-22(29-11-13-30(14-12-29)24-25-9-4-10-26-24)27-21-8-7-17(15-19(20)21)28-35(33,34)18-5-2-1-3-6-18/h1-10,15-16,28H,11-14H2,(H,31,32)